SCHEMBL4818359

SCHEMBL4818359

O=C1NN=Cc2c(-c3ccccc3)[nH]c3cc(NCCCCc4ccccc4)cc1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PIK3CD O00329 3/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
AURKA O14965 3/20 0.39
PLK4 O00444 2/20 0.39
CHEK2 O96017 2/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 2/20 0.39
LCK P06239 2/20 0.39
FYN P06241 2/20 0.39
CDK1 P06493 2/20 0.39
RET P07949 2/20 0.39
FGFR1 P11362 2/20 0.39
SRC P12931 2/20 0.39
FGFR3 P22607 2/20 0.39
RPS6KB1 P23443 2/20 0.39
MARK3 P27448 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4814340 0.88 PARP1 (0.46) PARP1PARP2PIK3CDPIK3CAPIK3CB
SCHEMBL4779544 0.84 MMP2 (0.46) PARP1PARP2AURKAPLK4CHEK2
SCHEMBL4814876 0.83 PARP1 (0.44) PARP1PARP2PIK3CDPIK3CAPIK3CB
SCHEMBL4779793 0.78 AURKA (0.52) PARP1PARP2AURKAPLK4CHEK2
SCHEMBL4777267 0.78 PARP1 (0.44) PARP1PARP2KDRMAPK3MAPK1
SCHEMBL4778648 0.77 ROCK2 (0.44) PARP1PARP2AURKAPLK4CHEK2
SCHEMBL13987746 0.77 AURKA (0.45) PARP1PARP2AURKAPLK4CHEK2
SCHEMBL4793684 0.75 AURKA (0.48) PARP1PARP2AURKAPLK4CHEK2
SCHEMBL4779888 0.74 AURKA (0.49) PARP1PARP2AURKAPLK4CHEK2
SCHEMBL4779909 0.74 MAPT (0.49) PARP1PARP2AURKAPLK4CHEK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA PARP1 582/4885PARP2 770/4885PIK3CD 369/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.